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BDBM88697 4-hydroxybenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester::4-hydroxybenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester::MLS000393645::SMR000247821::[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-oxidanylbenzoate::[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-hydroxybenzoate::cid_2127357

SMILES: CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(O)cc1

InChI Key: InChIKey=JXTNQLXAUDJOOA-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 88697   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88697
PNG
(4-hydroxybenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H17NO4/c1-2-12-4-3-5-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-8-14(21)9-7-13/h3-10,20-21H,2,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM88697
PNG
(4-hydroxybenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H17NO4/c1-2-12-4-3-5-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-8-14(21)9-7-13/h3-10,20-21H,2,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair